N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine

C16H19NO — CID 44563029

IUPACN,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccccc2CN(C)C)cc1
InChIInChI=1S/C16H19NO/c1-13-8-10-15(11-9-13)18-16-7-5-4-6-14(16)12-17(2)3/h4-11H,12H2,1-3H3
InChIKeyZQZLOZOZZUMOJF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.85
Rot. Bonds4

About N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine

N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine (PubChem CID 44563029) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine
PubChem CID44563029
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccccc2CN(C)C)cc1
InChIInChI=1S/C16H19NO/c1-13-8-10-15(11-9-13)18-16-7-5-4-6-14(16)12-17(2)3/h4-11H,12H2,1-3H3
InChIKeyZQZLOZOZZUMOJF-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine (CID 44563029) is N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine is Cc1ccc(Oc2ccccc2CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine?
The InChIKey is ZQZLOZOZZUMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-8-10-15(11-9-13)18-16-7-5-4-6-14(16)12-17(2)3/h4-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine?
N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 44563029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).